SCHEMBL22011164

SCHEMBL22011164

O[C@H]1CCc2c1cc1c(c2I)CCC1

nearest known ligand 0.41

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
UGT2B17 O75795 2/20 0.41
NLRP3 Q96P20 3/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL25033144 0.79 UGT2B17 (0.49) UGT2B17NLRP3
SCHEMBL20681026 0.79 UGT2B17 (0.41) UGT2B17NLRP3
SCHEMBL22010660 0.79 UGT2B17 (0.49) UGT2B17NLRP3
SCHEMBL22011027 0.79 UGT2B17 (0.49) UGT2B17NLRP3
SCHEMBL22282197 0.76 NLRP3 (0.38) UGT2B17NLRP3
SCHEMBL24960215 0.76 UGT2B17 (0.41) UGT2B17NLRP3
SCHEMBL21892906 0.76 UGT2B17 (0.41) UGT2B17NLRP3
SCHEMBL25033139 0.76 NLRP3 (0.43) UGT2B17NLRP3
SCHEMBL22002719 0.76 UGT2B17 (0.41) UGT2B17NLRP3
SCHEMBL21586421 0.76 NLRP3 (0.39) UGT2B17NLRP3

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020102098-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NOVARTIS INFLAMMASOME RESEARCH, INC. (US) 2020-05-22 WO disclosed